Structure of PDB 6v94 Chain B Binding Site BS01

Receptor Information
>6v94 Chain B (length=469) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GQMRLPSADVYRFAEPDSEENIIFEEGIPIIKAGTVIKLIERLTYHMYAD
PNFVRTFLTTYRSFCKPQELLSLIIERFEIPEPEPTEADRIAIENGDQPL
SAELKRFRKEYIQPVQLRVLNVCRHWVEHHFYDFERDAYLLQRMEEFIGT
VRGKAMKKWVESITKIIQRKKIANITFQSSPPTVEWHISRPGHIETFDLL
TLHPIEIARQLTLLESDLYRAVQPSELVGSVWTKEDKEINSPNLLKMIRH
TTNLTLWFEKCIVETENLEERVAVVSRIIEILQVFQELNNFNGVLEVVSA
MNSSPVYRLDHTFEQIPSRQKKILEEAHELSEDHYKKYLAKLRSINPPCV
PFFGIYLTNILKTEEGNPEVLKRHGKELINFSKRRKVAEITGEIQQYQNQ
PYCLRVESDIKRFFENLNPMGNSMEKEFTDYLFNKSLEIEPRNPKPLPRF
PKKYSYPLKSPGVRPSNPR
Ligand information
Ligand IDQTV
InChIInChI=1S/C11H10FN3O2/c1-8-13-11(15(16)17)7-14(8)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3
InChIKeyANWLFOLYHZHQIN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1nc(cn1Cc2ccc(F)cc2)[N+]([O-])=O
OpenEye OEToolkits 2.0.7Cc1nc(cn1Cc2ccc(cc2)F)[N+](=O)[O-]
ACDLabs 12.01n2c(cn(Cc1ccc(cc1)F)c2C)[N+]([O-])=O
FormulaC11 H10 F N3 O2
Name1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole
ChEMBLCHEMBL4635871
DrugBank
ZINCZINC000000083480
PDB chain6v94 Chain B Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6v94 Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		M878 V883 Y884 F890 H905
Binding residue
(residue number reindexed from 1)		M301 V306 Y307 F313 H328
Annotation score1
Binding affinityBindingDB: Kd=1200000nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005085 guanyl-nucleotide exchange factor activity
Biological Process
GO:0007264 small GTPase-mediated signal transduction

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Molecular Function
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Biological Process
External links
PDB RCSB:6v94, PDBe:6v94, PDBj:6v94
PDBsum6v94
PubMed32673492
UniProtQ07889|SOS1_HUMAN Son of sevenless homolog 1 (Gene Name=SOS1)

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